3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide

C24H32N2O2 — CID 146200144

IUPAC3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)CCc1ccc(C(C)(C)C)cc1)CCCCN2
InChIInChI=1S/C24H32N2O2/c1-24(2,3)19-11-8-17(9-12-19)10-13-23(27)26-21-15-18-7-5-6-14-25-20(18)16-22(21)28-4/h8-9,11-12,15-16,25H,5-7,10,13-14H2,1-4H3,(H,26,27)
InChIKeyKKBTWFIRWHJFPT-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.31
Rot. Bonds5

About 3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide

3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide (PubChem CID 146200144) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide
PubChem CID146200144
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)CCc1ccc(C(C)(C)C)cc1)CCCCN2
InChIInChI=1S/C24H32N2O2/c1-24(2,3)19-11-8-17(9-12-19)10-13-23(27)26-21-15-18-7-5-6-14-25-20(18)16-22(21)28-4/h8-9,11-12,15-16,25H,5-7,10,13-14H2,1-4H3,(H,26,27)
InChIKeyKKBTWFIRWHJFPT-UHFFFAOYSA-N
XLogP5.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide with MolForge

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Related Compounds

[7-[(4-tert-butylbenzoyl)amino]-2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl] acetate
CID 146200094
4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
CID 146200157
4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1122084
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 82159104
3-(4-tert-butylphenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 32546042
ethyl 4-[3-(4-tert-butylphenyl)propanoylamino]-5-chloro-2-methoxybenzoate
CID 19229359
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 6490974
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760
N-(6-amino-1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)propanamide
CID 119618243
3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 18272953

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide (CID 146200144) is 3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide is COc1cc2c(cc1NC(=O)CCc1ccc(C(C)(C)C)cc1)CCCCN2.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide?
The InChIKey is KKBTWFIRWHJFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-24(2,3)19-11-8-17(9-12-19)10-13-23(27)26-21-15-18-7-5-6-14-25-20(18)16-22(21)28-4/h8-9,11-12,15-16,25H,5-7,10,13-14H2,1-4H3,(H,26,27).
What are the key properties of 3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide?
3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide has a molecular weight of 380.53 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propanamide is sourced from PubChem (CID 146200144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).